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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCC3=CC=CC=N3)C4=CC=C(C=C4)Cl |
|---|---|
| IUPAC Name | 5-tert-butyl-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine |
| InChIKey | SWXVTPFMCSJUME-UHFFFAOYSA-N |
| INCHI | 1S/C22H22ClN5/c1-22(2,3)19-12-20(25-13-17-6-4-5-11-24-17)28-21(27-19)18(14-26-28)15-7-9-16(23)10-8-15/h4-12,14,25H,13H2,1-3H3 |
| Peso molecular | 391.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolo[1,5-a]pyrimidines 2-pyridylmethylamines Secondary alkylarylamines Chlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - 2-pyridylmethylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Pyrimidine - Pyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary amine - Azacycle - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 391.900 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 391.156 Da |
| Monoisotopic Mass | 391.156 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 502.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine , CAS No.896814-78-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)